About N-(cyclobutylmethyl)-2-[[2-[2-[2-(cyclopropylmethylamino)-2-oxoethoxy]phenyl]quinazolin-4-yl]-(1H-indazol-5-yl)amino]acetamide
N-(cyclobutylmethyl)-2-[[2-[2-[2-(cyclopropylmethylamino)-2-oxoethoxy]phenyl]quinazolin-4-yl]-(1H-indazol-5-yl)amino]acetamide (PubChem CID 143303432) has the molecular formula C34H35N7O3
and a molecular weight of 589.70 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-2-[[2-[2-[2-(cyclopropylmethylamino)-2-oxoethoxy]phenyl]quinazolin-4-yl]-(1H-indazol-5-yl)amino]acetamide.
Molecular Properties
| Compound Name | N-(cyclobutylmethyl)-2-[[2-[2-[2-(cyclopropylmethylamino)-2-oxoethoxy]phenyl]quinazolin-4-yl]-(1H-indazol-5-yl)amino]acetamide |
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| PubChem CID | 143303432 |
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| Molecular Formula | C34H35N7O3 |
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| Molecular Weight | 589.70 g/mol |
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| Exact Mass | 589.28 |
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| IUPAC Name | N-(cyclobutylmethyl)-2-[[2-[2-[2-(cyclopropylmethylamino)-2-oxoethoxy]phenyl]quinazolin-4-yl]-(1H-indazol-5-yl)amino]acetamide |
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| SMILES | O=C(COc1ccccc1-c1nc(N(CC(=O)NCC2CCC2)c2ccc3[nH]ncc3c2)c2ccccc2n1)NCC1CC1 |
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| InChI | InChI=1S/C34H35N7O3/c42-31(35-17-22-6-5-7-22)20-41(25-14-15-28-24(16-25)19-37-40-28)34-26-8-1-3-10-29(26)38-33(39-34)27-9-2-4-11-30(27)44-21-32(43)36-18-23-12-13-23/h1-4,8-11,14-16,19,22-23H,5-7,12-13,17-18,20-21H2,(H,35,42)(H,36,43)(H,37,40) |
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| InChIKey | RUYOCWWEFGFBQS-UHFFFAOYSA-N |
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| XLogP | 5.13 |
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| TPSA | 125.13 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 12 |
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| Heavy Atoms | 44 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 589.70 |
| LogP ≤ 5 | 5.13 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 7 |
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Frequently Asked Questions
What is the IUPAC name of N-(cyclobutylmethyl)-2-[[2-[2-[2-(cyclopropylmethylamino)-2-oxoethoxy]phenyl]quinazolin-4-yl]-(1H-indazol-5-yl)amino]acetamide?
The IUPAC name of N-(cyclobutylmethyl)-2-[[2-[2-[2-(cyclopropylmethylamino)-2-oxoethoxy]phenyl]quinazolin-4-yl]-(1H-indazol-5-yl)amino]acetamide (CID 143303432) is N-(cyclobutylmethyl)-2-[[2-[2-[2-(cyclopropylmethylamino)-2-oxoethoxy]phenyl]quinazolin-4-yl]-(1H-indazol-5-yl)amino]acetamide.
What is the SMILES notation for N-(cyclobutylmethyl)-2-[[2-[2-[2-(cyclopropylmethylamino)-2-oxoethoxy]phenyl]quinazolin-4-yl]-(1H-indazol-5-yl)amino]acetamide?
The canonical SMILES for N-(cyclobutylmethyl)-2-[[2-[2-[2-(cyclopropylmethylamino)-2-oxoethoxy]phenyl]quinazolin-4-yl]-(1H-indazol-5-yl)amino]acetamide is O=C(COc1ccccc1-c1nc(N(CC(=O)NCC2CCC2)c2ccc3[nH]ncc3c2)c2ccccc2n1)NCC1CC1.
What is the InChIKey of N-(cyclobutylmethyl)-2-[[2-[2-[2-(cyclopropylmethylamino)-2-oxoethoxy]phenyl]quinazolin-4-yl]-(1H-indazol-5-yl)amino]acetamide?
The InChIKey is RUYOCWWEFGFBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35N7O3/c42-31(35-17-22-6-5-7-22)20-41(25-14-15-28-24(16-25)19-37-40-28)34-26-8-1-3-10-29(26)38-33(39-34)27-9-2-4-11-30(27)44-21-32(43)36-18-23-12-13-23/h1-4,8-11,14-16,19,22-23H,5-7,12-13,17-18,20-21H2,(H,35,42)(H,36,43)(H,37,40).
What are the key properties of N-(cyclobutylmethyl)-2-[[2-[2-[2-(cyclopropylmethylamino)-2-oxoethoxy]phenyl]quinazolin-4-yl]-(1H-indazol-5-yl)amino]acetamide?
N-(cyclobutylmethyl)-2-[[2-[2-[2-(cyclopropylmethylamino)-2-oxoethoxy]phenyl]quinazolin-4-yl]-(1H-indazol-5-yl)amino]acetamide has a molecular weight of 589.70 g/mol, XLogP of 5.13, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-2-[[2-[2-[2-(cyclopropylmethylamino)-2-oxoethoxy]phenyl]quinazolin-4-yl]-(1H-indazol-5-yl)amino]acetamide is sourced from PubChem (CID 143303432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).